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4NC2
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BU of 4nc2 by Molmil
Crystal structure of TcdB-B1 bound to B39 VHH
Descriptor: B39 VHH, Toxin B
Authors:Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E.N, Klassen, J.S, Ng, K.K.S.
Deposit date:2013-10-23
Release date:2013-12-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Antibody Recognition in the Receptor-binding Domains of Toxins A and B from Clostridium difficile.
J.Biol.Chem., 289, 2014
4NC3
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BU of 4nc3 by Molmil
Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHOLESTEROL, ...
Authors:Liu, W, Wacker, D, Gati, C, Han, G.W, James, D, Wang, D, Nelson, G, Weierstall, U, Katritch, V, Barty, A, Zatsepin, N.A, Li, D, Messerschmidt, M, Boutet, S, Williams, G.J, Koglin, J.E, Seibert, M.M, Wang, C, Shah, S.T.A, Basu, S, Fromme, R, Kupitz, C, Rendek, K.N, Grotjohann, I, Fromme, P, Kirian, R.A, Beyerlein, K.R, White, T.A, Chapman, H.N, Caffrey, M, Spence, J.C.H, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2013-10-23
Release date:2013-12-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Serial femtosecond crystallography of G protein-coupled receptors.
Science, 342, 2013
4NC4
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BU of 4nc4 by Molmil
Crystal structure of photoreceptor AtUVR8 mutant W285F and light-induced structural changes at 120K
Descriptor: MAGNESIUM ION, Ultraviolet-B receptor UVR8
Authors:Yang, X, Zeng, X, Zhao, K.-H, Ren, Z.
Deposit date:2013-10-23
Release date:2016-10-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
4NC5
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BU of 4nc5 by Molmil
Human sialidase 2 in complex with 2,3-difluorosialic acid (covalent intermediate)
Descriptor: 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, PHOSPHATE ION, Sialidase-2
Authors:Buchini, S, Gallat, F.-X, Greig, I.R, Kim, J.-H, Wakatsuki, S, Chavas, L.M.G, Withers, S.G.
Deposit date:2013-10-24
Release date:2013-11-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.513 Å)
Cite:Tuning mechanism-based inactivators of neuraminidases: mechanistic and structural insights.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NC6
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BU of 4nc6 by Molmil
Tbc domain of human rab gtpase-activating protein 1
Descriptor: ACETATE ION, CHLORIDE ION, Rab GTPase-activating protein 1
Authors:Janowski, R, Boutin, M, Coll, M.
Deposit date:2013-10-24
Release date:2015-08-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tbc domain of human rab gtpase-activating protein 1
To be Published
4NC7
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BU of 4nc7 by Molmil
N-terminal domain of delta-subunit of RNA polymerase complexed with I3C and nickel ions
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, DNA-directed RNA polymerase subunit delta, NICKEL (II) ION
Authors:Demo, G, Papouskova, V, Komarek, J, Sanderova, H, Rabatinova, A, Krasny, L, Zidek, L, Sklenar, V, Wimmerova, M.
Deposit date:2013-10-24
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray vs. NMR structure of N-terminal domain of delta-subunit of RNA polymerase.
J.Struct.Biol., 187, 2014
4NC8
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BU of 4nc8 by Molmil
N-terminal domain of delta-subunit of RNA polymerase complexed with nickel ions
Descriptor: DNA-directed RNA polymerase subunit delta, NICKEL (II) ION
Authors:Demo, G, Papouskova, V, Komarek, J, Sanderova, H, Rabatinova, A, Krasny, L, Zidek, L, Sklenar, V, Wimmerova, M.
Deposit date:2013-10-24
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:X-ray vs. NMR structure of N-terminal domain of delta-subunit of RNA polymerase.
J.Struct.Biol., 187, 2014
4NC9
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BU of 4nc9 by Molmil
Crystal structure of phosphatidyl mannosyltransferase PimA
Descriptor: GDP-mannose-dependent alpha-(1-2)-phosphatidylinositol mannosyltransferase
Authors:Giganti, D, Albesa-Jove, D, Bellinzoni, M, Guerin, M.E, Alzari, P.M.
Deposit date:2013-10-24
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.192 Å)
Cite:Secondary structure reshuffling modulates glycosyltransferase function at the membrane.
Nat.Chem.Biol., 11, 2015
4NCA
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BU of 4nca by Molmil
Structure of Thermus thermophilus Argonaute bound to guide DNA 19-mer and target DNA in the presence of Mg2+
Descriptor: 5'-D(*AP*CP*AP*AP*CP*C)-3', 5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', ...
Authors:Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y.
Deposit date:2013-10-24
Release date:2014-01-15
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (2.489 Å)
Cite:Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NCB
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BU of 4ncb by Molmil
Structure of Thermus thermophilus Argonaute bound to guide DNA and 19-mer target DNA with Mg2+
Descriptor: 5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*C)-3', 5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', ...
Authors:Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y.
Deposit date:2013-10-24
Release date:2014-01-15
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (2.189 Å)
Cite:Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NCC
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BU of 4ncc by Molmil
Neutralizing antibody to murine norovirus
Descriptor: Fab fragment heavy, Fab fragment light
Authors:Smith, T, Li, M.
Deposit date:2013-10-24
Release date:2014-02-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Flexibility in surface-exposed loops in a virus capsid mediates escape from antibody neutralization.
J.Virol., 88, 2014
4NCD
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BU of 4ncd by Molmil
Crystal Structure of Class 5 Fimbriae Chaperone CfaA
Descriptor: Gram-negative pili assembly chaperone, N-terminal domain protein
Authors:Bao, R, Xia, D.
Deposit date:2013-10-24
Release date:2014-08-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.037 Å)
Cite:Structure of CfaA Suggests a New Family of Chaperones Essential for Assembly of Class 5 Fimbriae.
Plos Pathog., 10, 2014
4NCE
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BU of 4nce by Molmil
Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2013-10-24
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4NCF
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BU of 4ncf by Molmil
Crystal structure of eukaryotic translation initiation factor eIF5B (399-852) from Saccharomyces cerevisiae in complex with GDP
Descriptor: Eukaryotic translation initiation factor 5B, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Kuhle, B, Ficner, R.
Deposit date:2013-10-24
Release date:2014-07-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.015 Å)
Cite:eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining.
Embo J., 33, 2014
4NCG
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BU of 4ncg by Molmil
Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
Descriptor: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Yan, Y.
Deposit date:2013-10-24
Release date:2014-02-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24, 2014
4NCH
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BU of 4nch by Molmil
Crystal Structure of Pyrococcus furiosis Rad50 L802W mutation
Descriptor: DNA double-strand break repair Rad50 ATPase, SULFATE ION
Authors:Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S.
Deposit date:2013-10-24
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling.
Embo J., 33, 2014
4NCI
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BU of 4nci by Molmil
Crystal Structure of Pyrococcus furiosis Rad50 R805E mutation
Descriptor: DNA double-strand break repair Rad50 ATPase
Authors:Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S.
Deposit date:2013-10-24
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling.
Embo J., 33, 2014
4NCJ
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BU of 4ncj by Molmil
Crystal Structure of Pyrococcus furiosis Rad50 R805E mutation with ADP Beryllium Flouride
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA double-strand break repair Rad50 ATPase, ...
Authors:Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S.
Deposit date:2013-10-24
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling.
Embo J., 33, 2014
4NCK
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BU of 4nck by Molmil
Crystal Structure of Pyrococcus furiosis Rad50 R797G mutation
Descriptor: CHLORIDE ION, DNA double-strand break repair Rad50 ATPase, MAGNESIUM ION, ...
Authors:Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S.
Deposit date:2013-10-24
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling.
Embo J., 33, 2014
4NCL
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BU of 4ncl by Molmil
Crystal structure of eukaryotic translation initiation factor eIF5B (517-970) from Chaetomium thermophilum in complex with GDP
Descriptor: Eukaryotic translation initiation factor 5B-like protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Kuhle, B, Ficner, R.
Deposit date:2013-10-24
Release date:2014-07-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.115 Å)
Cite:eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining.
Embo J., 33, 2014
4NCM
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BU of 4ncm by Molmil
Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2013-10-24
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4NCN
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BU of 4ncn by Molmil
Crystal structure of eukaryotic translation initiation factor eIF5B (517-858) from Chaetomium thermophilum in complex with GTP
Descriptor: ACETIC ACID, Eukaryotic translation initiation factor 5B-like protein, GLYCEROL, ...
Authors:Kuhle, B, Ficner, R.
Deposit date:2013-10-24
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining.
Embo J., 33, 2014
4NCO
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BU of 4nco by Molmil
Crystal Structure of the BG505 SOSIP gp140 HIV-1 Env trimer in Complex with the Broadly Neutralizing Fab PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP gp120, BG505 SOSIP gp41, ...
Authors:Julien, J.-P, Stanfield, R.L, Lyumkis, D, Ward, A.B, Wilson, I.A.
Deposit date:2013-10-24
Release date:2013-11-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (4.7 Å)
Cite:Crystal structure of a soluble cleaved HIV-1 envelope trimer.
Science, 342, 2013
4NCP
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BU of 4ncp by Molmil
Crystal Structure of 4-HBT like thioesterase SAV1878 from Staphylococcus aureus subsp. aureus Mu50
Descriptor: Uncharacterized protein
Authors:Khandokar, Y.B, Forwood, J.K.
Deposit date:2013-10-24
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Expression, purification, crystallization, and X-ray diffraction analysis of hypothetical protein SAV1878 from Staphylococcus aureus subsp. aureus Mu50
To be Published
4NCQ
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BU of 4ncq by Molmil
Crystal structure of NiSOD H1A mutant
Descriptor: Superoxide dismutase [Ni]
Authors:Guce, A.I, Garman, S.C.
Deposit date:2013-10-24
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Nickel superoxide dismutase: structural and functional roles of His1 and its H-bonding network.
Biochemistry, 54, 2015

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